9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene

C41H42 — CID 175228506

IUPAC9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene
SMILESCCCCC(C1C=CC=C1)(C1CCCCC1)C1c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C41H42/c1-2-3-27-41(35-21-13-14-22-35,34-19-11-6-12-20-34)40-38-28-32(30-15-7-4-8-16-30)23-25-36(38)37-26-24-33(29-39(37)40)31-17-9-5-10-18-31/h4-5,7-10,13-18,21-26,28-29,34-35,40H,2-3,6,11-12,19-20,27H2,1H3
InChIKeyIBLKNMBWECQLSH-UHFFFAOYSA-N
MW534.79 g/mol
LogP11.63
Rot. Bonds8

About 9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene

9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene (PubChem CID 175228506) has the molecular formula C41H42 and a molecular weight of 534.79 g/mol. Its IUPAC name is 9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene.

Molecular Properties

Compound Name9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene
PubChem CID175228506
Molecular FormulaC41H42
Molecular Weight534.79 g/mol
Exact Mass534.33
IUPAC Name9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene
SMILESCCCCC(C1C=CC=C1)(C1CCCCC1)C1c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C41H42/c1-2-3-27-41(35-21-13-14-22-35,34-19-11-6-12-20-34)40-38-28-32(30-15-7-4-8-16-30)23-25-36(38)37-26-24-33(29-39(37)40)31-17-9-5-10-18-31/h4-5,7-10,13-18,21-26,28-29,34-35,40H,2-3,6,11-12,19-20,27H2,1H3
InChIKeyIBLKNMBWECQLSH-UHFFFAOYSA-N
XLogP11.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.79
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene?
The IUPAC name of 9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene (CID 175228506) is 9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene.
What is the SMILES notation for 9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene?
The canonical SMILES for 9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene is CCCCC(C1C=CC=C1)(C1CCCCC1)C1c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene?
The InChIKey is IBLKNMBWECQLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42/c1-2-3-27-41(35-21-13-14-22-35,34-19-11-6-12-20-34)40-38-28-32(30-15-7-4-8-16-30)23-25-36(38)37-26-24-33(29-39(37)40)31-17-9-5-10-18-31/h4-5,7-10,13-18,21-26,28-29,34-35,40H,2-3,6,11-12,19-20,27H2,1H3.
What are the key properties of 9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene?
9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene has a molecular weight of 534.79 g/mol, XLogP of 11.63, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene is sourced from PubChem (CID 175228506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).